Information card for entry 2006554

Structure parameters

• Common name: 1,4-dimethoxy-2-naphthoic acid
• Formula: C13 H12 O4
• Calculated formula: C13 H13 O4
• SMILES: O(c1c(cc(OC)c2ccccc12)C(=O)O)C
• Title of publication: 1,4-Dimethoxy-2-naphthoic Acid
• Authors of publication: Blackburn, Anthony C.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1425 - 1427
• a: 3.971 ± 0.002 Å
• b: 8.904 ± 0.002 Å
• c: 31.417 ± 0.002 Å
• α: 90°
• β: 92.84 ± 0.03°
• γ: 90°
• Cell volume: 1109.5 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No